SCHEMBL2576010

SCHEMBL2576010

CCCCCC1C(C(=O)O)=C(C)NC(C)=C1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
FASN P49327 1/20 0.36
FFAR3 O14843 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL8654643 0.98 ALDH1A1 (0.49) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8653231 0.98 ALDH1A1 (0.49) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8654462 0.98 ALDH1A1 (0.49) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8652188 0.94 ALDH1A1 (0.51) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8655261 0.86 ALDH1A1 (0.65) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8521929 0.85 ALDH1A1 (0.50) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL7152871 0.81 ALDH1A1 (0.78) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL7148358 0.81 ALDH1A1 (0.58) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL11256668 0.80 ALDH1A1 (0.57) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL11903331 0.79 ALDH1A1 (0.33) LMNAALDH1A1HPGDTP53TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920647-A Novel synthesis process of intermediate side chain alcohol of medicine for treating primary hypertension 苏州虞美景盛新药开发有限公司 2022-08-19 CN disclosed
WO-2011130852-A1 PREPARATION OF INTERMEDIATES FOR THE SYNTHESIS OF DIHYDROPYRIDINE CALCIUM CHANNEL BLOCKERS ALPHORA RESEARCH INC. (CA) 2011-10-27 WO disclosed
WO-1999001432-A1 ANTI-DIABETIC AGENT LATVIAS ORGANISKAS SINTEZES INSTITUTS (LV) 1999-01-14 WO disclosed
US-5843950-A 1,4-dihydropyridine compound and pharmaceutical composition containing the same NIKKEN CHEMICALS CO., LTD. (JP) 1998-12-01 US disclosed
US-4841054-A A LOW TOXICITY, HIGH STABILITY MEDICATION FOR HYPERTENSIVE ACTIVITY INSTITUTE ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVISISKOI SSR 1989-06-20 US disclosed