SCHEMBL11550271

SCHEMBL11550271

CC(=O)C(=Cc1ccccc1C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
PLIN1 O60240 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9475914 0.90 CYP1A2 (0.49) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL9475919 0.90 CYP1A2 (0.49) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL10379177 0.87 CYP1A2 (0.55) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL7384130 0.86 MAPT (0.53) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL7384129 0.86 MAPT (0.53) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL17122439 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2439822 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL7446722 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL13287298 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2439824 0.83 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US disclosed
US-4038399-A 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4022898-A ANTIHYPERTENSIVE AGENTS, VASODILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4004015-A Bicyclic derivatives of 1,4-dihydropyridine as antihypertensive agents and coronary vessel dilators BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-4001258-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3966948-A Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed