SCHEMBL10380958

SCHEMBL10380958

COc1ccc2c(c1)c(CNC(C(=O)O)c1cccc(C(F)(F)F)c1)cn2Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.59
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ICMT O60725 7/20 0.49
HTR6 P50406 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
ADAM17 P78536 2/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL9585680 0.90 PLA2G2A (0.67) PLA2G2AMTNR1AMTNR1BICMTHTR6
SCHEMBL9585417 0.90 PLA2G2A (0.67) PLA2G2AMTNR1AMTNR1BICMTHTR6
SCHEMBL9733384 0.88 PLA2G2A (0.55) PLA2G2AMTNR1AMTNR1BICMTHTR6
SCHEMBL10380474 0.88 ADAM17 (0.46) ICMTHTR6LMNAALDH1A1ADAM17
SCHEMBL9583713 0.85 PLA2G2A (0.54) PLA2G2AMTNR1AMTNR1BICMTHTR6
SCHEMBL10443452 0.84 PLA2G2A (0.67) PLA2G2AMTNR1AMTNR1BICMTHTR6
SCHEMBL9733190 0.81 PLA2G2A (0.60) PLA2G2AMTNR1AMTNR1BICMTHTR6
Hydrochloric Acid SCHEMBL9733235 0.81 PLA2G2A (0.59) PLA2G2AMTNR1AMTNR1BICMTHTR6
SCHEMBL9583982 0.80 PLA2G2A (0.48) PLA2G2AMTNR1AMTNR1BICMTLMNA
SCHEMBL9584346 0.78 ICMT (0.47) PLA2G2AMTNR1AMTNR1BICMTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP claimed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO claimed