SCHEMBL7409172

SCHEMBL7409172

COc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccc(C)cc3)CCC(OC(=O)c3ccccc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
FABP4 P15090 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
PLA2G2A P14555 4/20 0.41
PPARG P37231 3/20 0.41
PLA2G1B P04054 1/20 0.41
AKR1C4 P17516 1/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS2 P35354 1/20 0.39
EDNRB P24530 1/20 0.39

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
SCHEMBL7408398 0.82 HTR6 (0.48) HDAC1HDAC6HTR6LMNAPTGDR2
SCHEMBL7408065 0.79 HDAC6 (0.47) HDAC1HDAC6ALDH1A1FABP4PTGDR2
SCHEMBL7415530 0.77 TBXA2R (0.50) HDAC1HDAC6FABP4PTGDR2
SCHEMBL3859121 0.75 HTR6 (0.67) HTR6FABP4PTGDR2PTGS1PTGS2
SCHEMBL7411645 0.73 HTR1B (0.49)
SCHEMBL28074399 0.72 HDAC6 (0.49) HDAC6PLA2G2APPARGAKR1C4PTGS1
SCHEMBL7411899 0.71 TSHR (0.46) ALDH1A1LMNAPTGDR2
SCHEMBL9055755 0.70 CHRM2 (0.50) HDAC1HDAC6ALDH1A1LMNAFABP4
SCHEMBL1879444 0.70 HTR6 (0.51) HDAC1HDAC6HTR6PTGDR2PLA2G2A
SCHEMBL3140058 0.69 HTR6 (0.59) HTR6PTGDR2PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed