SCHEMBL6546359

SCHEMBL6546359

CCc1ccc(C(C)(C)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.41
IDO1 P14902 1/20 0.41
ESR1 P03372 1/20 0.41
AR P10275 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 2/20 0.39
TP53 P04637 1/20 0.39
BCHE P06276 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
KIF11 P52732 2/20 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
SCHEMBL16106154 0.91 ESR1 (0.48) TSHRHPGDCYP3A4ESR1AR
SCHEMBL10030393 0.89 TEAD4 (0.42) TSHRHPGDCYP3A4SLC6A4TP53
SCHEMBL18901114 0.83 TSHR (0.67) TSHRHPGDCYP3A4ESR1AR
SCHEMBL40574 0.83
SCHEMBL4942966 0.83 TSHR (0.67) TSHRHPGDCYP3A4ESR1AR
P-Xylene SCHEMBL28187926 0.83 IDO1 (0.55) TSHRIDO1ACHETP53TAAR1
SCHEMBL5497395 0.83 IDO1 (0.55) TSHRIDO1ACHETP53TAAR1
SCHEMBL6546659 0.82 TP53 (0.56) TSHRHPGDCYP3A4ESR1AR
SCHEMBL12967064 0.80 LMNA (0.55) TSHRHPGDCYP3A4IDO1ESR1
SCHEMBL9694180 0.80 TSHR (0.46) TSHRHPGDCYP3A4IDO1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131909-A1 POLYCARBONATE COPOLYMER COMPOSITIONS SHPP Global Technologies B.V (NL) 2023-07-13 WO disclosed
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