SCHEMBL11258618

SCHEMBL11258618

COc1cc(CCl)cc(C2OCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD4 P21917 2/20 0.30
CYP19A1 P11511 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2200862 0.82 ALDH1A1 (0.48) NPC1RAB9AALDH1A1TSHRFGFR1
SCHEMBL23801986 0.76
SCHEMBL7822134 0.75 ALDH1A1 (0.44) NPC1RAB9AALDH1A1TSHRCYP19A1
SCHEMBL2201604 0.75 CYP3A4 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2CYP19A1
SCHEMBL23801952 0.74 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL1279836 0.74 ALDH1A1 (0.58) ALDH1A1TSHRCYP19A1
SCHEMBL20865065 0.74 ALDH1A1 (0.50) ALDH1A1TSHRCYP19A1
SCHEMBL11261073 0.72 ALDH1A1 (0.55) ALDH1A1TSHRCYP19A1
SCHEMBL2201853 0.72 ALDH1A1 (0.37) NPC1RAB9AALDH1A1FGFR1FGFR2
SCHEMBL16803093 0.71 KDM1A (0.40) NPC1RAB9AALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341906-A ANALGESICS PFIZER INC. (US) 1982-07-27 US disclosed
US-4310669-A TETRALONE PFIZER INC. (US) 1982-01-12 US disclosed
US-4310668-A Intermediates to 1,9-dihydroxyoctahydrophenanthrenes PFIZER INC. (US) 1982-01-12 US disclosed
US-4310529-A ANALGESICS PFIZER INC. (US) 1982-01-12 US disclosed
US-4270005-A ANALGESICS PFIZER INC. (US) 1981-05-26 US disclosed
US-4268523-A ANALGESICS PFIZER INC. (US) 1981-05-19 US disclosed
US-4268692-A ANALGESICS PFIZER INC. (US) 1981-05-19 US disclosed
US-4237133-A ANALGESICS PFIZER INC. (US) 1980-12-02 US disclosed
US-4188495-A 1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor PFIZER INC. (US) 1980-02-12 US disclosed