SCHEMBL3287307

SCHEMBL3287307

C=C(C)C(=O)OC(CCOP(=O)(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
PTPN1 P18031 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
PIN1 Q13526 1/20 0.30
CETP P11597 3/20 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
SCHEMBL93141 0.86 S1PR1 (0.36) ELANEKCNN4CYP2C19HIF1ASMN1; SMN2
SCHEMBL15901491 0.80 CYP2C19 (0.39) ELANEKCNN4CYP2C19HIF1ACHRM3
SCHEMBL27781963 0.79 LPAR3 (0.41) TSHRCETP
SCHEMBL28216995 0.77 CYP2C19 (0.41) ELANEKCNN4CYP2C19HIF1APOLB
SCHEMBL4883370 0.76 S1PR1 (0.34) ELANEKCNN4SMN1; SMN2POLBPTPN1
SCHEMBL27312311 0.76 HIF1A (0.40) ELANEKCNN4CYP2C19HIF1APOLB
SCHEMBL10707981 0.75 LPAR3 (0.35) ALDH1A1TSHR
SCHEMBL3286566 0.74 LPAR3 (0.34) ALDH1A1TSHR
Phosphoric Acid SCHEMBL27286637 0.74 ELANE (0.41) ELANEKCNN4CYP2C19HIF1ASMN1; SMN2
Phosphoric Acid SCHEMBL27996367 0.74 ELANE (0.41) ELANEKCNN4CYP2C19HIF1ASMN1; SMN2

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
US-7709098-B2 fireproofing, materials handling; polytriazines 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-05-04 US disclosed
US-20070231552-A1 fireproofing, materials handling; polytriazines 3M INNOVATIVE PROPERTIES COMPANY 2007-10-04 US disclosed
WO-2006001943-A2 MULTI-LAYERED THERMALLY CONDUCTIVE SHEET 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-05 WO disclosed