SCHEMBL18192044

SCHEMBL18192044

C=C(CC)c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.34
PPIA P62937 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6933934 0.79 CYP3A4 (0.38) TSHRALDH1A1GAAPOLBL3MBTL1
SCHEMBL7102004 0.79 MAOA (0.41) TSHRALDH1A1L3MBTL1HTTHSD17B10
SCHEMBL2655533 0.78 TSHR (0.46) TSHRALDH1A1GAAPOLBL3MBTL1
SCHEMBL29777919 0.77 TSHR (0.52) TSHRALDH1A1GAAPOLBL3MBTL1
SCHEMBL8239082 0.77 TSHR (0.52) TSHRALDH1A1GAAPOLBL3MBTL1
SCHEMBL19048391 0.76 TSHR (0.41) TSHRALDH1A1GAAPOLBL3MBTL1
SCHEMBL11362759 0.74 TSHR (0.41) TSHRALDH1A1GAAPOLBESR2
SCHEMBL29032509 0.74 TSHR (0.41) TSHRALDH1A1GAAPOLBL3MBTL1
SCHEMBL11853872 0.74 GABRA1 (0.43) TSHRALDH1A1GAAHTTHPGD
SCHEMBL29435241 0.74 TSHR (0.41) TSHRALDH1A1GAAPOLBESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3434668-B1 INDOLO-SUBSTITUTED-PIPERIDINE COMPOUNDS AS ESTROGEN RECEPTOR DEGRADING AGENT LUOXIN PHARMACEUTICAL SHANGHAI CO LTD (CN) 2020-08-26 EP disclosed
EP-3315535-B1 METHOD OF PRODUCTION OF CONJUGATED DIENE RUBBER ZEON CORP (JP) 2019-11-13 EP disclosed
US-20190292289-A1 METHOD FOR PRODUCING FOR CONJUGATED-DIENE-BASED RUBBER ZEON CORPORATION (JP) 2019-09-26 US disclosed
EP-3543278-A1 METHOD FOR PRODUCING CONJUGATED-DIENE-BASED RUBBER Zeon Corporation (JP) 2019-09-25 EP disclosed
US-10266613-B2 Conjugated diene polymer and method of production of conjugated diene polymer ZEON CORPORATION (JP) 2019-04-23 US disclosed
EP-3088423-B1 CONJUGATED DIENE BASED POLYMER AND PROCESS FOR MANUFACTURING CONJUGATED DIENE BASED POLYMER ZEON CORP (JP) 2019-01-16 EP disclosed
US-20180298121-A1 CONJUGATED DIENE POLYMER AND METHOD OF PRODUCTION OF CONJUGATED DIENE POLYMER ZEON CORPORATION (JP) 2018-10-18 US disclosed
US-20180170103-A1 METHOD OF PRODUCTION OF CONJUGATED DIENE RUBBER ZEON CORPORATION (JP) 2018-06-21 US disclosed
EP-3315535-A1 METHOD OF PRODUCTION OF CONJUGATED DIENE RUBBER Zeon Corporation (JP) 2018-05-02 EP disclosed
EP-3309181-A1 CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCTION CONJUGATED DIENE POLYMER Zeon Corporation (JP) 2018-04-18 EP disclosed
US-20160326274-A1 CONJUGATED DIENE POLYMER AND METHOD OF PRODUCTION OF CONJUGATED DIENE POLYMER ZEON CORPORATION (JP) 2016-11-10 US disclosed
EP-3088423-A1 CONJUGATED DIENE BASED POLYMER AND PROCESS FOR MANUFACTURING CONJUGATED DIENE BASED POLYMER Zeon Corporation (JP) 2016-11-02 EP disclosed