SCHEMBL9879563

SCHEMBL9879563

Cc1cc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccccc4)c(C)c3)cc2)ccc1Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.54
TTR P02766 2/20 0.54
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
HPSE Q9Y251 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL10586560 0.94 TTR (0.51) SRD5A2TTRHPGDCYP1A2CYP2D6
SCHEMBL10148365 0.88 TTR (0.69) SRD5A2TTRALDH1A1POLBGAA
SCHEMBL11305006 0.87 TTR (0.54) TTRHPGDCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9316831 0.85 TTR (0.53) SRD5A2TTRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL27481396 0.85 PARP10 (0.59) TTRALDH1A1SMN1; SMN2LMNAKMT2A
Hydrochloric Acid SCHEMBL27497210 0.84 PARP10 (0.57) TTRALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8070206 0.84 TTR (0.55) TTRHPGDALDH1A1KMT2AGAA
SCHEMBL24469100 0.81 ALDH1A1 (0.60) HPGDCYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL12531441 0.81 ALDH1A1 (0.60) HPGDCYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL13745810 0.81 ALDH1A1 (0.60) HPGDCYP1A2CYP2C19ALDH1A1SMN1; SMN2

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
US-4990589-A Engineering thermoplastic resin RAYCHEM LIMITED (GB) 1991-02-05 US disclosed
EP-0315441-A2 Poly(arylene ether ketones) RAYCHEM LIMITED (GB) 1989-05-10 EP disclosed