SCHEMBL11270076

SCHEMBL11270076

COCC(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.56
BLM P54132 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.56
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
TSHR P16473 2/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL34953 0.84 TSHR (0.70) RAB9ANPC1SMN1; SMN2POLBLOXL2
SCHEMBL11267206 0.84 KMT2A (0.47) RAB9ASMN1; SMN2CA12CA1CA2
SCHEMBL941861 0.84 LOXL2 (0.57) RAB9ANPC1SMN1; SMN2POLBBLM
SCHEMBL11109875 0.84 CYP4F2 (0.60) RAB9ANPC1SMN1; SMN2POLBBLM
SCHEMBL16994152 0.84 MEN1 (0.46) RAB9ANPC1SMN1; SMN2POLBBLM
SCHEMBL9943503 0.82 TSHR (0.67) RAB9ANPC1SMN1; SMN2POLBLOXL2
SCHEMBL8054504 0.82 TSHR (0.67) RAB9ANPC1SMN1; SMN2POLBLOXL2
SCHEMBL10941453 0.82 TSHR (0.67) RAB9ANPC1SMN1; SMN2POLBLOXL2
SCHEMBL29966404 0.82 TSHR (0.67) RAB9ANPC1SMN1; SMN2POLBLOXL2
Potassium SCHEMBL30190417 0.82 TSHR (0.67) RAB9ANPC1SMN1; SMN2POLBLOXL2

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-4310529-A ANALGESICS 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-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