SCHEMBL49976

SCHEMBL49976

CC(C)c1cccc(C(C)(C)C)c1OO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
CA2 P00918 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
CYP3A4 P08684 2/20 0.42
GABRB2 P47870 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL7635494 0.85 CA2 (0.40) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL14560669 0.83 CA2 (0.39) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL315900 0.82 GABRA1 (0.54) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL9068488 0.77 CA2 (0.34) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL7904966 0.76
SCHEMBL10521097 0.76 GABRA1 (0.48) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL13408064 0.76 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL11040447 0.75 GABRA1 (0.56) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL6320516 0.75 GABRA1 (0.46) GABRA1CA2GABRG2GABRB3CYP3A4
SCHEMBL56957 0.75 GABRA1 (0.64) GABRA1CA2GABRG2GABRB3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144328-A1 ACRYLIC POLYMER, METHOD FOR PRODUCING SAME, AND PLASTISOL COMPOSITION INCLUDING SAID ACRYLIC POLYMER Mitsubishi Rayon Co., Ltd. (JP) 2017-03-22 EP disclosed
US-8127372-B2 Polyisoprene aqueous emulsion and a method to fabricate gloves and related products SHANGHAI SHENGDA MEDICAL APPLICATION CO. LTD. (CN) 2012-03-06 US disclosed
US-20100237541-A1 Polyisoprene aqueous emulsion and a method to fabricate gloves and related products SHANGHAI SHENGDA MEDICAL APPLICATION CO. LTD. (CN) 2010-09-23 US disclosed