SCHEMBL20036657

SCHEMBL20036657

CCCc1ccc(C(C)CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ACACB O00763 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL9838746 0.91 ESR1 (0.45) ESR1ESR2ALDH1A1TSHRCYP2C9
SCHEMBL10977710 0.87 CA2 (0.47) LPLLIPGESR1ALDH1A1HPGD
SCHEMBL24021959 0.84 HTR2A (0.56) LPLLIPGESR1ALDH1A1TSHR
SCHEMBL28827751 0.84 HTR2A (0.56) LPLLIPGESR1ALDH1A1TSHR
SCHEMBL10017779 0.83 CA2 (0.46) ESR1ESR2ALDH1A1TSHRCYP2C9
SCHEMBL5665155 0.83 MAOA (0.45) ALDH1A1TSHRNPC1RAB9A
SCHEMBL1611359 0.83 ALDH1A1 (0.40) ESR1ESR2ALDH1A1TSHRCYP2C9
SCHEMBL10130853 0.83 LPL (0.45) LPLLIPGACACBESR1ESR2
SCHEMBL6182941 0.83 TAAR1 (0.54) LPLLIPGACACBESR1ESR2
SCHEMBL598140 0.83 ALDH1A1 (0.52) ESR1ESR2ALDH1A1TSHRCYP2C9

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
EP-2814486-B1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION KINETA FOUR LLC (US) 2018-04-11 EP disclosed