SCHEMBL611099

SCHEMBL611099

C=CC(=O)N(CC1CCCO1)CC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR1A P37288 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL15663014 0.91 OXTR (0.40) OXTRLMNAPOLBALDH1A1USP2
SCHEMBL21828769 0.91 LMNA (0.42) OXTRLMNAPOLBALDH1A1USP2
SCHEMBL15715628 0.91 OXTR (0.40) OXTRLMNAPOLBALDH1A1USP2
SCHEMBL15694271 0.88 OXTR (0.38) OXTRLMNAPOLBALDH1A1AVPR1A
SCHEMBL611403 0.83 LMNA (0.37) OXTRLMNAPOLBALDH1A1USP2
SCHEMBL21869514 0.83 GAA (0.36) OXTRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL21393259 0.83 ALDH1A1 (0.44) OXTRLMNAPOLBALDH1A1HPGD
SCHEMBL611532 0.80 ALDH1A1 (0.36) ALDH1A1TP53
SCHEMBL21869513 0.79 OXTR (0.33) OXTRLMNAPOLBALDH1A1AVPR1A
SCHEMBL17060548 0.77 HTT (0.35) OXTRLMNAPOLBALDH1A1USP2

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-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed