SCHEMBL4682851

SCHEMBL4682851

CCCCOC(=O)C1(c2ccc(I)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.58
▸ SIGMAR1 Q99720 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PRCP P42785 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 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
SCHEMBL348542 0.85 ALDH1A1 (0.49) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL7615416 0.81 MEN1 (0.58) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL11047233 0.80 OPRM1 (0.52) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL21874377 0.79 OPRM1 (0.72) OPRM1SIGMAR1
SCHEMBL7617991 0.78 ALDH1A1 (0.57) SIGMAR1ALDH1A1MEN1KMT2APRCP
SCHEMBL5641709 0.76 OPRM1 (0.52) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL349225 0.75 MEN1 (0.44) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL14408208 0.73 ELANE (0.48) ALDH1A1KMT2A
SCHEMBL23485191 0.72 OPRM1 (0.53) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL14258104 0.72 OPRM1 (0.49) OPRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 — — EP disclosed
EP-1171113-B1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS BOEHRINGER INGELHEIM PHARMA (US) 2004-06-02 — — EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 — — US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 — — US disclosed
US-6156784-A Compounds useful as phosphotyrosine mimics BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-12-05 — — US disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 — — EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 — — US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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