SCHEMBL14417496

SCHEMBL14417496

Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.66
▸ MAPK14 Q16539 1/20 0.56
▸ ACACB O00763 1/20 0.56
▸ ACACA Q13085 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PARP10 Q53GL7 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ELANE P08246 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50

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
SCHEMBL12757136 0.97 SRD5A2 (0.61) SRD5A2MAPK14ACACBACACALMNA
SCHEMBL13375679 0.95 SRD5A2 (0.72) SRD5A2MAPK14LMNAALDH1A1PARP10
SCHEMBL11974584 0.93 ALDH1A1 (0.64) SRD5A2MAPK14ACACBACACALMNA
SCHEMBL760051 0.93 ALDH1A1 (0.64) SRD5A2MAPK14ACACBACACALMNA
SCHEMBL6425454 0.91 SRD5A2 (0.67) SRD5A2MAPK14LMNAALDH1A1MMP13
SCHEMBL9814564 0.91 SRD5A2 (0.78) SRD5A2ACACBACACALMNAALDH1A1
SCHEMBL20081140 0.91 SRD5A2 (0.78) SRD5A2ACACBACACALMNAALDH1A1
SCHEMBL6463622 0.89 FFAR4 (0.61) SRD5A2MAPK14ACACBACACALMNA
SCHEMBL13557152 0.88 SRD5A2 (0.60) SRD5A2MAPK14ACACBACACALMNA
SCHEMBL13837369 0.88 SRD5A2 (0.51) SRD5A2MAPK14ACACBACACALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070218335-A1 POLYMER HAVING OXOCARBON GROUP, AND USE THEREOF KAO CORPORATION (JP) 2007-09-20 — — US disclosed
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