SCHEMBL8214320

SCHEMBL8214320

CCCCCCOc1cccc2cc(C(=O)O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
PTPN11 Q06124 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G2D Q9UNK4 1/20 0.54
PLA2G4B P0C869 1/20 0.54
LTB4R Q15722 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
PLA2G2A P14555 1/20 0.51
RARB P10826 2/20 0.51

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
SCHEMBL28148802 0.86 MRGPRX4 (0.56) ALDH1A1HPGDTP53TSHR
SCHEMBL8089490 0.85 PLA2G2A (0.52) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL1672695 0.83 PLA2G4B (0.47) ALDH1A1TP53TSHRPLA2G4B
SCHEMBL5348705 0.82 ALDH1A1 (0.56) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5360481 0.82 ALDH1A1 (0.56) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL247380 0.80 HTR1B (0.50) CNR1CNR2
SCHEMBL6564724 0.80 KDM4E (0.67) ALDH1A1HPGDTSHR
SCHEMBL249940 0.79 CNR1 (0.48) ALDH1A1HPGDCNR1CNR2
SCHEMBL15565685 0.79 HTR1B (0.49) CNR1CNR2
SCHEMBL249286 0.79 KCNA3 (0.55) TSHRCNR1CNR2

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-0982621-B1 Film for optical elements NIPPON MITSUBISHI OIL CORP (JP) 2012-10-10 EP disclosed
EP-0982621-A2 Film for optical elements Nippon Mitsubishi Oil Corporation (JP) 2000-03-01 EP disclosed