SCHEMBL6547552

SCHEMBL6547552

C=C(Cc1ccccc1)c1ccccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 2/20 0.41
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 2/20 0.38
SLC6A2 P23975 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL7434130 0.81 GABRA1 (0.41) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL9133864 0.79 GABRA1 (0.42) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL11842763 0.79 GABRA1 (0.45) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL7444375 0.77 TRPA1 (0.39) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL11060451 0.76 GABRA1 (0.42) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL6546320 0.74 HTT (0.45) CNR2LMNACES2CES1AKR1B1
SCHEMBL28538158 0.74 TP53 (0.53) POLBCA1CA2LMNAHPGD
Hydrogen Peroxide SCHEMBL9619640 0.74 GABRA1 (0.48) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL10609915 0.73 ALDH1A1 (0.49) TSHRPOLBCYP3A4HPGDHIF1A
SCHEMBL28546675 0.73 ALDH1A1 (0.49) CNR2POLBCYP1A2CYP3A4CES2

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