SCHEMBL11921702

SCHEMBL11921702

C=C(C)C(=O)Cc1ccc(C)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NQO2 P16083 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 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
SCHEMBL1257818 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10KDM4EHPGDTSHR
SCHEMBL1257814 0.76 SMN1; SMN2 (0.39) PPARGSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL937067 0.76 PPARG (0.33) PPARGSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL7120045 0.75 HTT (0.38) SMN1; SMN2HSD17B10ALDH1A1HTT
SCHEMBL14294930 0.75 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL28714250 0.75 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10KDM4EHPGDTSHR
SCHEMBL1171323 0.74 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1HPGDTSHRGLA
SCHEMBL28404226 0.71 THRB (0.45) HSD17B10ALDH1A1TSHRNQO2HTT
Bicarbonate SCHEMBL16179255 0.69 PDCD1 (0.36) SMN1; SMN2GLASTING1
SCHEMBL21344188 0.69 NPSR1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9591848-B2 Biofilm resistant polymer materials Abilene Christian Univ. (US) 2017-03-14 — — US disclosed
US-20120208916-A1 Biofilm Resistant Polymer Materials CAVITT T BRIAN (US) 2012-08-16 — — US disclosed
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