SCHEMBL11596132

SCHEMBL11596132

COC(=O)CC1(C)OCCc2c1[nH]c1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
OGFRL1 Q5TC84 4/20 0.46
OPRD1 P41143 3/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
EGFR P00533 3/20 0.43
SRC P12931 1/20 0.41
KMT2A Q03164 2/20 0.41
S1PR1 P21453 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 3/20 0.40
TRPV1 Q8NER1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11596668 0.89 KMT2A (0.48) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11596389 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11594807 0.87 ALDH1A1 (0.43) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11595954 0.86 OPRM1 (0.48) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11598173 0.86 OPRM1 (0.46) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11650527 0.85 OPRM1 (0.45) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL946404 0.84 OPRM1 (0.46) OPRM1OGFRL1OPRL1S1PR1ALDH1A1
SCHEMBL11604174 0.84 OPRM1 (0.44) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11598201 0.84 OPRM1 (0.47) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11598186 0.84 OPRM1 (0.49) OPRM1OGFRL1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3939178-A ANTIINFLAMMATORY, ANALGESIC, BACTERICIDE, FUNGICIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-17 US claimed
US-4118394-A ANTIULCER, ANTIDEPRESSANT AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-10-03 US disclosed
US-4076831-A Pyrano[3,4-b]-indole derivatives, pharmaceutical compositions and methods of use AMERICAN HOME PRODUCTS CORPORATION (US) 1978-02-28 US disclosed
US-4070371-A ANTIINFLAMMATORY, ANALGESIC, ANTIBACTERIAL, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1978-01-24 US disclosed
US-4066780-A Pyranoindole derivatives as antiulcer agents AYERST MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4066779-A ANTIDEPRESSANT, ANTIULCER AYERST, MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4056538-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST, MCKENNA & HARRISON LIMITED (CA) 1977-11-01 US disclosed
US-4056537-A CYCLIZATION, ACID CATALYST AYERST MCKENNA AND HARRISON LTD. (CA) 1977-11-01 US disclosed
US-4041169-A TREATING AND PREVENTING ULCERS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-08-09 US disclosed
US-4012417-A ACID CATALYSTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US disclosed
US-4003913-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-01-18 US disclosed
US-3974179-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-10 US disclosed
US-3939178-A ANTIINFLAMMATORY, ANALGESIC, BACTERICIDE, FUNGICIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-17 US disclosed