SCHEMBL6547271

SCHEMBL6547271

Cc1c(Cc2ccccc2)cccc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTR2A P28223 1/20 0.40
CALM1 P0DP23 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 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
SCHEMBL28662452 0.86 HTR2A (0.42) HTR2ACALM1BCL2BCL2L1TSHR
Ammonia Solution, Strong SCHEMBL27927921 0.84 CNR2 (0.40) HTR2ACALM1BCL2BCL2L1TSHR
SCHEMBL6546758 0.84 CALM1 (0.46) HTR2ACALM1BCL2BCL2L1TSHR
SCHEMBL7861886 0.82 CALM1 (0.52) HTR2ACALM1BCL2BCL2L1TSHR
SCHEMBL9514064 0.80 CA2 (0.55) GABRA1GABRB2BCL2BCL2L1TSHR
SCHEMBL3842673 0.79 HTR2A (0.37) HTR2ACALM1BCL2BCL2L1HPGD
Chloromethane SCHEMBL27508976 0.79 CALM1 (0.44) HTR2ACALM1BCL2BCL2L1TSHR
Hydrochloric Acid SCHEMBL1752738 0.78 HTR2A (0.36) HTR2ABCL2BCL2L1HPGDLMNA
SCHEMBL1276090 0.78 CALM1 (0.48) HTR2ACALM1BCL2BCL2L1TSHR
SCHEMBL11169193 0.77 HTR1A (0.43) HTR2ACNR2GPR55DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0271047-B1 Active-energy-ray curable coating composition MITSUBISHI RAYON CO (JP) 1996-08-21 EP disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
US-4904737-A MIXTURE OF ACRYLIC COPOLYMER OF A (METH)ACRYLIC ESTER HAVING AN ADDITIONAL FUNCTIONAL GROUP AND A DICYCLOPENTYL (METH) ACRYLIC ESTER AND A CROSSLINKING UNSATURATED COMPOUND; DRY TACK; TRANSFER FOILS FOR MOLDINGS MITSUBISHI RAYON CO., LTD. (JP) 1990-02-27 US disclosed
EP-0271047-A2 Active-energy-ray curable coating composition MITSUBISHI RAYON CO., LTD. (JP) 1988-06-15 EP disclosed