SCHEMBL21547586

SCHEMBL21547586

C=C(C)Cc1cc(C(c2ccccc2)c2ccccc2)cc(CC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP2C9 P11712 3/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TACR1 P25103 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TEAD4 Q15561 1/20 0.31

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
SCHEMBL21547612 0.82 GABRA1 (0.38) ELANECYP2C9HPGDLMNAMAPT
SCHEMBL21547591 0.80 LMNA (0.41) ELANEMEN1KMT2ALMNAMTNR1A
SCHEMBL21547590 0.77 ELANE (0.39) ELANEMEN1KMT2ALMNAMTNR1A
SCHEMBL21547575 0.76 ACHE (0.35) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL21108705 0.76 TAAR1 (0.36) MEN1KMT2ACYP2C9TACR1MAPT
SCHEMBL21547581 0.75 RARG (0.32) PPARG
SCHEMBL21547607 0.73 GABRA1 (0.35) KMT2AMAPT
SCHEMBL21547604 0.73 CYP2C19 (0.33) ELANEPPARGMAPTSMN1; SMN2
SCHEMBL8092835 0.71 GABRA1 (0.48) CYP2C9LMNA
SCHEMBL15002987 0.69 MAPT (0.49) MEN1KMT2ATACR1HPGDLMNA

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
EP-2616513-B1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECH CO (SA) 2019-11-06 EP disclosed