SCHEMBL9775359

SCHEMBL9775359

C=C(CCC(=O)O)c1ccc(OC2=C(Oc3ccc(C(=C)CCC(=O)O)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.40
FFAR1 O14842 1/20 0.36
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4B Q07343 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
MMP1 P03956 1/20 0.32
PARP10 Q53GL7 2/20 0.32
KMT2A Q03164 1/20 0.32
PARP15 Q460N3 1/20 0.32

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
SCHEMBL9495514 0.78 SRD5A2 (0.55) SRD5A2HPGDHSD17B10HTTPARP10
SCHEMBL9366572 0.73 PARP10 (0.38) SRD5A2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL9499643 0.73 HPGD (0.38) SRD5A2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL9500742 0.71 CA1 (0.55) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3383700 0.69 NR4A2 (0.61) FFAR1ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9499058 0.68 SRD5A2 (0.39) SRD5A2PARP10
SCHEMBL28966302 0.68 KMT2A (0.66) SRD5A2FFAR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28966305 0.68 CES2 (0.46) ALDH1A1HPGDCYP1A2HSD17B10KMT2A
SCHEMBL10885925 0.66 NR4A2 (0.63) SRD5A2FFAR1ALDH1A1HPGDCYP1A2
SCHEMBL9496291 0.65 HSPB1 (0.39) ALDH1A1HTTKMT2A

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-4990633-A Used as insulating agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed