SCHEMBL17676141

SCHEMBL17676141

CCCCCCc1ccc(C(C)(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.38
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
GPR183 P32249 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17191782 1.00 TNNC1 (0.38) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL17191783 1.00 TNNC1 (0.38) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL11892122 0.92 MAPT (0.41) POLBTDP1KDM4EALDH1A1HSD17B10
SCHEMBL18532092 0.86 KMT2A (0.34) POLBALDH1A1CYP3A4HSD17B10
SCHEMBL22193295 0.85 FAAH (0.40) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL8923831 0.83 ESR1 (0.45) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL12925335 0.82 ALDH1A1 (0.41) POLBTDP1ESR1ADRA2AADORA3
SCHEMBL3805078 0.81 ESR1 (0.41) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2032335 0.80 ESR1 (0.39) POLBTDP1ESR1ADRA2AADORA3
SCHEMBL6524717 0.80 ESR1 (0.39) POLBTDP1ESR1ADRA2AADORA3

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-9312501-B2 Semiconducting compounds and optoelectronic devices incorporating same POLYERA CORPORATION (US) 2016-04-12 US disclosed