SCHEMBL28181774

SCHEMBL28181774

O=C(O)c1ccc(C(=O)O)c2c1O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
TSHR P16473 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.41
TYMS P04818 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL11662563 0.88 KDM4E (0.48) CYP1A2ALDH1A1ALOX15CASP1KDM4E
SCHEMBL8861245 0.88 SELL (0.52) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL9743204 0.81 HNF4A (0.47) ALDH1A1ALOX15TYMSKDM4EPTPN1
SCHEMBL10792029 0.76 KDM4E (0.48) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL71467 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL134045 0.73 XDH (0.44) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL6530620 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL22122 0.71 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL29417502 0.71 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL29603070 0.70 TYMS (0.50) CYP1A2ALDH1A1ALOX15SELLSELP

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
CN-107216442-A A kind of epoxy resin of low linear expansion coefficient and preparation method thereof 贵阳学院 2017-09-29 CN claimed
CN-107216442-A A kind of epoxy resin of low linear expansion coefficient and preparation method thereof 贵阳学院 2017-09-29 CN disclosed