SCHEMBL11684605

SCHEMBL11684605

O=C(O)c1ccc2c(c1)CCc1cc(Cl)ccc1C2=O

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.84
SRD5A1 P18405 5/20 0.84
TTR P02766 4/20 0.49
METAP1 P53582 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
AKR1B1 P15121 1/20 0.46
MAPK14 Q16539 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PTPRC P08575 2/20 0.44

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
SCHEMBL11684948 0.92 SRD5A1 (0.72) SRD5A2SRD5A1TTRMETAP1HTT
SCHEMBL11684258 0.92 SRD5A2 (0.72) SRD5A2SRD5A1TTRMETAP1ALDH1A1
SCHEMBL8253251 0.90 SRD5A2 (0.68) SRD5A2SRD5A1TTRALDH1A1AKR1B1
SCHEMBL11686857 0.85 AKR1B1 (0.61) SRD5A2SRD5A1TTRALDH1A1AKR1B1
SCHEMBL2601324 0.84 METAP1 (0.60) SRD5A2SRD5A1METAP1HTTAKR1B1
SCHEMBL1918142 0.82 SRD5A2 (0.84) SRD5A2SRD5A1TTRMAPK14PTPRC
SCHEMBL11689203 0.81 SRD5A2 (0.57) SRD5A2SRD5A1TTRALDH1A1AKR1B1
SCHEMBL11685606 0.81 MAPK14 (0.60) SRD5A2SRD5A1TTRALDH1A1MAPK14
SCHEMBL8256729 0.81 SRD5A2 (0.84) SRD5A2SRD5A1TTRMETAP1ALDH1A1
SCHEMBL11683555 0.81 SRD5A2 (0.57) SRD5A2SRD5A1TTRMETAP1ALDH1A1

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-4041173-A ANTI-ASTHMATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-09 US disclosed