SCHEMBL6547438

SCHEMBL6547438

CCC(CCc1ccccc1)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP19A1 P11511 3/20 0.41
UTS2R Q9UKP6 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.39
POLB P06746 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP3 P15309 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
SCHEMBL6546324 0.93 F2 (0.45) ALDH1A1CYP19A1TDP1L3MBTL1F2
SCHEMBL6062885 0.89 CYP19A1 (0.49) CYP19A1F2POLBACP3
SCHEMBL13814554 0.86 TP53 (0.47) ALDH1A1CYP19A1UTS2RCNR1CNR2
SCHEMBL29048475 0.84 ALDH1A1 (0.43) ALDH1A1CYP19A1UTS2RCNR1CNR2
SCHEMBL27829880 0.81 ALDH1A1 (0.57) ALDH1A1CNR2TDP1L3MBTL1POLB
SCHEMBL3015704 0.81 ALDH1A1 (0.45) ALDH1A1CYP19A1TDP1L3MBTL1F2
SCHEMBL9587606 0.81 SLC6A2 (0.49) ALDH1A1CYP19A1POLBHTTCYP2C19
SCHEMBL10014856 0.80 CYP19A1 (0.45) CYP19A1F2POLBACP3
SCHEMBL7430622 0.79 CYP19A1 (0.46) ALDH1A1CYP19A1CNR2TDP1L3MBTL1
SCHEMBL13814553 0.79 ALDH1A1 (0.43) ALDH1A1CYP19A1UTS2RCNR2TDP1

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