SCHEMBL11284342

SCHEMBL11284342

Cc1ccc(OCc2cc(C(=O)CNC(C)(C)C)ccc2Oc2cccc(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAOB P27338 1/20 0.41
FFAR1 O14842 2/20 0.40
TBXA2R P21731 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL11425909 0.88 RXRA (0.38) POLBFFAR1TBXA2RTDP1L3MBTL1
Trifluoroacetic Acid SCHEMBL11290815 0.86 ALDH1A1 (0.40) MAOBFFAR1L3MBTL1ALDH1A1MAPT
SCHEMBL11282380 0.86 ALDH1A1 (0.38) POLBMAOBTBXA2RTDP1L3MBTL1
Hydrochloric Acid SCHEMBL11289061 0.83 CTNNB1 (0.44) POLBTBXA2RTDP1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL11284136 0.81 TTR (0.44) POLBTBXA2RALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL11283481 0.81 ALDH1A1 (0.40) POLBTBXA2RALDH1A1MAPTLMNA
SCHEMBL11281881 0.78 CTNNB1 (0.45) TBXA2RALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11282293 0.78 DRD2 (0.40) POLBMAOBFFAR1TBXA2RTDP1
Hydrochloric Acid SCHEMBL10896191 0.77 CTNNB1 (0.44) TBXA2RALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11283535 0.76 PMP22 (0.45) TBXA2RTDP1L3MBTL1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed