SCHEMBL5134086

SCHEMBL5134086

Cc1[c]c(C)cc(-c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
TSHR P16473 1/20 0.46
RXRB P28702 4/20 0.40
RXRA P19793 3/20 0.40
RXRG P48443 2/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
XDH P47989 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9796315 0.83 TSHR (0.39) KIF11TSHRRXRBAKR1C2LMNA
SCHEMBL23319641 0.81 KIF11 (0.61) KIF11TSHRRXRBRXRARXRG
SCHEMBL4322427 0.81 KIF11 (0.61) KIF11TSHRRXRBRXRARXRG
SCHEMBL26915 0.78 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL3423876 0.78 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL15110562 0.77 TSHR (0.56) KIF11TSHRRXRBRXRARXRG
SCHEMBL698699 0.77 ACHE (0.42) KIF11RXRBRXRAAKR1C2AKR1C1
SCHEMBL140254 0.76 POLB (0.46) TSHRRXRBRXRARXRGLMNA
Lithium SCHEMBL29536927 0.75 KIF11 (0.67) KIF11TSHRLMNATYRXDH
SCHEMBL1931781 0.75 KIF11 (0.67) KIF11TSHRLMNATYRXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58059975-A None JP disclosed
EP-1950216-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY THE PROCESS, METATHESIS POLYMER FORMED BY RING OPENING POLYMERIZATION WITH THE SAME, AND PROCESS FOR PRODUCING POLYMER WITH THE SAME Mitsui Chemicals, Inc. (JP) 2008-07-30 EP disclosed
JP-S5859975-A N-(1-TRIAZOL-(1)-YL-2,2,2-TRICHLOROETHYL)-SUBSTITUTED AMIDE DERIVATIVE AND CONTROLLING AGENT AGAINST POWDERY MILDEW CONTAINING SAID DERIVATIVE KUREHA CHEM IND CO LTD 1983-04-09 JP disclosed