SCHEMBL13260957

SCHEMBL13260957

CCCC(C(=O)O)c1cccc(NC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.58
▸ TSHR P16473 1/20 0.58
▸ POLB P06746 2/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20862393 0.82 HSD17B10 (0.65) HSD17B10TSHRPOLBNR4A1RAB9A
SCHEMBL13260958 0.82 POLB (0.50) HSD17B10TSHRPOLBRAB9AMAPT
SCHEMBL4854892 0.77 ALDH1A1 (0.55) HSD17B10TSHRPOLBNR4A1RAB9A
SCHEMBL499473 0.77 PSEN1 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL30912668 0.77 KYNU (0.49) HSD17B10TSHRRAB9AKDM4EMEN1
SCHEMBL1049247 0.77 KYNU (0.49) HSD17B10TSHRRAB9AKDM4EMEN1
SCHEMBL10033011 0.77 MEN1 (0.52) HSD17B10TSHRPOLBNR4A1RAB9A
SCHEMBL10648008 0.77 HSD17B10 (0.51) HSD17B10TSHRPOLBNR4A1RAB9A
SCHEMBL29089557 0.77 CPN1 (0.44) CYP1A2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL20862426 0.76 HSD17B10 (0.53) HSD17B10TSHRPOLBNR4A1RAB9A

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
WO-2010091894-A2 METHODS OF TREATING HAIR RELATED CONDITIONS GIULIANI INTERNATIONAL LIMITED (IE) 2010-08-19 — — WO disclosed
Send feedback