SCHEMBL10946754

SCHEMBL10946754

COc1ccc2c(c1)c(CC(=O)O)cn2-c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.69
AKR1C2 P52895 6/20 0.69
AKR1C4 P17516 2/20 0.69
PTGS1 P23219 2/20 0.69
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
MAPT P10636 2/20 0.54
CYP2C9 P11712 2/20 0.54
PMP22 Q01453 2/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
RGS12 O14924 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL20769670 0.86 KCNH2 (0.59) AKR1C3AKR1C2AKR1C4PTGS1PLA2G4A
SCHEMBL7696757 0.82 PLA2G2A (0.69) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A
SCHEMBL2694527 0.81 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C4PTGS1AR
Methane SCHEMBL11569107 0.81 AKR1C3 (0.98) AKR1C3AKR1C2AKR1C4PTGS1AR
SCHEMBL6952151 0.80 PLA2G4A (0.56) MTNR1AMTNR1BMAPTABCB1PLA2G4A
SCHEMBL8644723 0.79 AKR1C3 (0.72) AKR1C3AKR1C2AKR1C4PTGS1MAPT
SCHEMBL2685182 0.78 MTNR1A (0.63) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A
SCHEMBL20769657 0.76 PLA2G4A (0.53) AKR1C3AKR1C2AKR1C4PTGS1LMNA
SCHEMBL10943893 0.75 AKR1C3 (0.72) AKR1C3AKR1C2AKR1C4PTGS1MEN1
SCHEMBL25100759 0.75 HTR6 (0.62) AKR1C3AKR1C2AKR1C4PTGS1MTNR1A

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
US-4532249-A Derivatives of p-acylaminophenol having a therapeutic action, and compositions having a therapeutic action containing said derivatives as pharmacologically active ingredients MOLNAR FRANCOIS (CH) 1985-07-30 US disclosed
US-4242348-A ANALGESICS; ANTIIFLAMMATORY AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-12-30 US disclosed
US-4196216-A ANTIINFLAMMATORY AGENTS, ANALGESICS U.S. PHILIPS CORPORATION (US) 1980-04-01 US disclosed
US-4071686-A ANTIINFLAMMATORY, ANALGESIC U.S. PHILIPS CORPORATION (US) 1978-01-31 US disclosed
US-4044023-A ANTIINFLAMMATORY, ANALGESICS U.S. PHILIPS CORPORATION (US) 1977-08-23 US disclosed