SCHEMBL11270656

SCHEMBL11270656

CCc1ccc(C(Cl)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CYP2A6 P11509 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28734969 0.84 TSHR (0.68) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL8750481 0.81 TSHR (0.64) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL147032 0.78 TSHR (0.67) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL17758324 0.76 TSHR (0.52) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL27717875 0.75 TYR (0.42) TSHRMAPK1TDP1ALDH1A1LMNA
SCHEMBL139408 0.75 L3MBTL1 (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL500563 0.75 TSHR (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL117710 0.74 TSHR (1.00) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL13307793 0.73 ADRB2 (0.54) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL9212725 0.73 CHRNA7 (0.42) TDP1L3MBTL1ALDH1A1LMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352748-A Novel acyl-polyalkylindan compounds and the use thereof as a base for perfume, as well as perfume compositions NAARDEN INTERNATIONAL N.V. (NL) 1982-10-05 US disclosed