SCHEMBL6546552

SCHEMBL6546552

C=C(c1ccc(C)cc1)c1ccc(CCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.50
PLK1 P53350 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRA P10827 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP1 P22413 1/20 0.41
ESR1 P03372 1/20 0.40

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
SCHEMBL10957122 0.92 THRB (0.57) THRBPLK1L3MBTL1LPLLIPG
SCHEMBL6546970 0.84 KMT2A (0.50) THRBPLK1L3MBTL1LPLLIPG
SCHEMBL6547505 0.83 ALDH1A1 (0.48) PLK1L3MBTL1LPLLIPGALDH1A1
Hydrogen Peroxide SCHEMBL27723527 0.83 CYP1A2 (0.54) THRBPLK1L3MBTL1LPLLIPG
SCHEMBL5493944 0.82 CYP1A2 (0.59) PLK1LPLLIPGCYP1A2CYP2A6
SCHEMBL326914 0.82 CYP1A2 (0.59) PLK1LPLLIPGCYP1A2CYP2A6
SCHEMBL1363306 0.81 THRB (0.55) THRBPLK1L3MBTL1LPLLIPG
Hydrochloric Acid SCHEMBL7988640 0.80 CYP1A2 (0.56) PLK1LPLLIPGCYP1A2CYP2A6
SCHEMBL6546987 0.80 CYP1A2 (0.56) PLK1LPLLIPGCYP1A2CYP2A6
SCHEMBL28572624 0.80 CYP1A2 (0.56) PLK1LPLLIPGCYP1A2CYP2A6

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