SCHEMBL8447457

SCHEMBL8447457

OC[C@@H]1C[C@@]1(CO)COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
EPHX2 P34913 1/20 0.35
PDE4D Q08499 1/20 0.35
SLC6A2 P23975 2/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
GRM5 P41594 1/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL9257357 1.00 TACR1 (0.43) TACR1TSHRKDM4EPOLBGBA1
SCHEMBL9264621 1.00 TACR1 (0.43) TACR1TSHRKDM4EPOLBGBA1
SCHEMBL9264627 1.00 TACR1 (0.43) TACR1TSHRKDM4EPOLBGBA1
SCHEMBL9618014 0.75 TSHR (0.50) TACR1TSHRKDM4EPOLBSLC6A4
SCHEMBL30706597 0.74 TSHR (0.38) TSHRKDM4EPOLBSLC6A2CHRM3
SCHEMBL25260175 0.72 CYP3A4 (0.36) TACR1TSHRPOLB
SCHEMBL25831069 0.72 CYP3A4 (0.36) TACR1TSHRPOLB
SCHEMBL3488328 0.71 TSHR (0.50) TACR1TSHRKDM4EPOLBSLC6A2
SCHEMBL21340791 0.71 TSHR (0.45) TACR1TSHRKDM4EPOLBGBA1
SCHEMBL1857389 0.70 TSHR (0.48) TACR1TSHRKDM4EPOLBGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502690-B1 Cyclopropane derivative AJINOMOTO KK (JP) 1999-12-01 EP disclosed
US-5449840-A Viricides AJINOMOTO CO., INC. (JP) 1995-09-12 US disclosed
US-5342840-A Viricides AJINOMOTO CO., INC. (JP) 1994-08-30 US disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP disclosed