SCHEMBL9510684

SCHEMBL9510684

CCCC1Oc2c(C(=O)O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CES2 O00748 1/20 0.40
BRD4 O60885 3/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CLCN2 P51788 1/20 0.35
TSHR P16473 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL21937754 0.73 KDM4C (0.39)
SCHEMBL2926588 0.72 BRD4 (0.51) CYP2C9BRD4ALDH1A1L3MBTL1ALOX15
SCHEMBL9510630 0.71 BRD4 (0.43) CYP2C9BRD4ALDH1A1L3MBTL1ALOX15
SCHEMBL10591490 0.66 CYP2C9 (0.41) CYP2C9BRD4ALDH1A1ALOX15
SCHEMBL10590358 0.66 CYP2C9 (0.41) CYP2C9BRD4ALDH1A1ALOX15
SCHEMBL10591479 0.66 CYP2C9 (0.41) CYP2C9BRD4ALDH1A1ALOX15
SCHEMBL7321198 0.66 CYP2C9 (0.41) CYP2C9BRD4ALDH1A1ALOX15
Phthalic Acid SCHEMBL1482851 0.65 ALDH1A1 (0.74) ALDH1A1ALOX15KDM4EHPGDTDP1
Phthalic Acid SCHEMBL9132518 0.65 ALDH1A1 (0.74) ALDH1A1ALOX15KDM4EHPGDTDP1
SCHEMBL2770919 0.65 CYP2C9 (0.48) CYP2C9ALDH1A1ALOX15

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-4892912-A DEPOLYMERIZATION THEN POLYMERIZING FRAGMENTS, ELASTICITY, MECHANICAL STRENGTH IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-01-09 US claimed
EP-0321691-B1 PROCESS FOR PRODUCING AROMATIC POLYESTER IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1993-09-29 EP disclosed
US-4892912-A DEPOLYMERIZATION THEN POLYMERIZING FRAGMENTS, ELASTICITY, MECHANICAL STRENGTH IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-01-09 US disclosed
EP-0321691-A2 Process for producing aromatic polyester IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-06-28 EP disclosed