SCHEMBL6547971

SCHEMBL6547971

Cc1ccccc1Cc1ccccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSPA5 P11021 1/20 0.37
CA2 P00918 1/20 0.37
AR P10275 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CHRM2 P08172 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ACHE P22303 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 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
SCHEMBL5435016 0.89 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1TSHRTDP1
SCHEMBL7845000 0.82 GABRA1 (0.46) GABRA1GABRB2TAAR1ALDH1A1TSHR
SCHEMBL2090458 0.82 TAAR1 (0.56) TAAR1ALDH1A1TSHRHSPA5AR
SCHEMBL29477327 0.82 TAAR1 (0.56) TAAR1ALDH1A1TSHRHSPA5AR
SCHEMBL6546758 0.81 CALM1 (0.46) TAAR1ALDH1A1TSHRTDP1CYP2C9
SCHEMBL6547955 0.80 TSHR (0.42) GABRA1GABRB2ALDH1A1TSHRTDP1
SCHEMBL11200954 0.79 TAAR1 (0.54) TAAR1ALDH1A1TSHRHSPA5AR
SCHEMBL29772212 0.79 TAAR1 (0.54) TAAR1ALDH1A1TSHRHSPA5AR
SCHEMBL8772273 0.76 MEN1 (0.49) GABRA1GABRB2ALDH1A1TSHRHSPA5
SCHEMBL28573581 0.76 ALDH1A1 (0.38) TAAR1ALDH1A1TSHRTDP1HPGD

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-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-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