SCHEMBL2305673

SCHEMBL2305673

C=CCc1cc[c]c2ccc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 3/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPRT1 P00492 1/20 0.31
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
AURKA O14965 1/20 0.30

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
SCHEMBL2946940 0.77 GABRA1 (0.35) AURKADAPK3MAP4K4RETIGF1R
SCHEMBL16487070 0.77 ALDH1A1 (0.43) TSHRHSD17B10ALDH1A1CYP2A6TDP1
SCHEMBL28549567 0.77 GPR55 (0.41) MEN1KMT2A
SCHEMBL18317256 0.70 ALDH1A1 (0.47) TSHRHSD17B10ALDH1A1CYP2A6TDP1
SCHEMBL2162377 0.70 KDM4E (0.36) TSHRHSD17B10ALDH1A1CYP2A6TDP1
SCHEMBL4598235 0.70 PTPN22 (0.44) TSHRHSD17B10ALDH1A1CYP2A6TDP1
SCHEMBL17183186 0.70 CYP1A2 (0.44) TSHRHSD17B10ALDH1A1CYP2A6TDP1
SCHEMBL30083984 0.69 CYP1A2 (0.52) ALDH1A1TDP1KDM4EHPGDLMNA
SCHEMBL25106 0.69 CYP1A2 (0.52) ALDH1A1TDP1KDM4EHPGDLMNA
SCHEMBL253635 0.68 HSD17B10 (0.41) TSHRHSD17B10ALDH1A1CYP2A6TDP1

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
US-8637619-B2 Process for preparing high-reactivity isobutene homo- or copolymers BASF SE (DE) 2014-01-28 US disclosed
US-20130059995-A1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS KOENIG HANNAH MARIA (DE) 2013-03-07 US disclosed
US-8349977-B2 Process for preparing high-reactivity isobutene homo- or copolymers BASF SE (DE) 2013-01-08 US disclosed
US-20110201772-A1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS BASF SE (DE) 2011-08-18 US disclosed