SCHEMBL10956402

SCHEMBL10956402

CC1=C(C(=O)C(=O)O)c2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAOA P21397 3/20 0.39
CYP1A2 P05177 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
RNASEH1 O60930 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL11821428 0.83 MAOA (0.43) SRD5A2ALDH1A1MAOACYP1A2NPC1
SCHEMBL8028626 0.77 FGFR1 (0.44) ALDH1A1MAOACYP1A2NPC1RAB9A
SCHEMBL11375973 0.75 CA12 (0.44) SRD5A2ALDH1A1CES1KDM4ESMN1; SMN2
SCHEMBL15698079 0.75 MAPT (0.44) SRD5A2ALDH1A1NPC1RAB9ACYP2C19
SCHEMBL11155843 0.73 KDM4E (0.37) ALDH1A1NPC1RAB9ACYP2C19MEN1
SCHEMBL14884278 0.72 MAOA (0.43) SRD5A2ALDH1A1MAOACYP1A2NPC1
SCHEMBL24585720 0.71 MIF (0.37) ALDH1A1MAOACYP1A2NPC1RAB9A
SCHEMBL15698031 0.71 EYA3 (0.45) SRD5A2ALDH1A1MAOACYP1A2ADRA2A
SCHEMBL11661882 0.70 SRD5A2 (0.40) SRD5A2ALDH1A1MAOACYP1A2ADRA2A
Fluorene SCHEMBL2131210 0.70 SRD5A2 (0.60) SRD5A2ALDH1A1MAOACYP1A2NPC1

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
EP-0206241-A1 Process for the preparation of cis-5-fluoro-2-methyl-1-(4-methylthiobenzylidene)-indene-3-acetic acid ZAMBON S.p.A. (IT) 1986-12-30 EP claimed
EP-0067508-B1 AMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-10-30 EP claimed