SCHEMBL7733342

SCHEMBL7733342

Cc1ccccc1CC(C)(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
SSTR4 P31391 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
TSHR P16473 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRM2 P08172 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
NR3C2 P08235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9455618 0.79 HSPA5 (0.43) TAAR1TSHRALDH1A1
SCHEMBL28445622 0.78 HSPA5 (0.42) TAAR1TSHRALDH1A1
SCHEMBL9541239 0.76 TAAR1 (0.42) TAAR1SSTR4ADRB2ADRB1TSHR
SCHEMBL2958719 0.76 TAAR1 (0.42) TAAR1SSTR4ADRB2ADRB1TSHR
SCHEMBL20746223 0.76 TAAR1 (0.52) TAAR1SSTR4ADRB2ADRB1TSHR
SCHEMBL3167835 0.74 RIPK1 (0.48) TAAR1SSTR4ADRB2ADRB1TSHR
SCHEMBL11571239 0.74 TAAR1 (0.50) TAAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL23852496 0.73 TAAR1 (0.39) TAAR1SSTR4ADRB2ADRB1TSHR
SCHEMBL14142999 0.73 TAAR1 (0.39) TAAR1SSTR4ADRB2ADRB1TSHR
SCHEMBL28806207 0.73 MAPT (0.47) SSTR4ALDH1A1GAAKMT2ANR3C2

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-6395141-B1 DIMETHYL MALEATE, DIMETHYL PHTALATE, ACETONYLACETONE, MORPHOLINE TRANS-SCRIPTO (PTY) LTD. (ZA) 2002-05-28 US disclosed