SCHEMBL11035263

SCHEMBL11035263

CCCCc1ccc(-c2[c]cccc2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.44
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
CA2 P00918 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CA1 P00915 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
PLK1 P53350 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2722296 0.85 EGFR (0.38) ALDH1A1CA2CTSVCTSLPLK1
SCHEMBL982519 0.79 LIPG (0.39) HSD11B1GPR84TSHR
SCHEMBL982140 0.78 GABRA1 (0.35) HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL981932 0.74 LIPG (0.45) HSD11B1MEN1MAPTKMT2AGPR84
SCHEMBL7151981 0.74 CTSS (0.38)
SCHEMBL17802345 0.73 LIPG (0.47) MEN1MAPTKMT2AGPR84TSHR
SCHEMBL11696260 0.73 HSD11B1 (0.42) RARBHSD11B1ALDH1A1HSD17B10HPGD
SCHEMBL983505 0.73 LIPG (0.47) MEN1MAPTKMT2AGPR84TSHR
SCHEMBL8566183 0.73 LIPG (0.47) MEN1MAPTKMT2AGPR84TSHR
SCHEMBL815623 0.73 GABRA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4455421-A ANTIFERTILITY, ANTIULCER AGENTS; TETRAZOLE DERIVATIVES PFIZER INC. (US) 1984-06-19 US disclosed
US-4365077-A ANTIFERTILITY, ANTIULCER PFIZER INC. (US) 1982-12-21 US disclosed
US-4157341-A 11-Desoxy-16-aryloxy-ω-tetranorprostaglandins PFIZER INC. (US) 1979-06-05 US disclosed