SCHEMBL19223045

SCHEMBL19223045

C/C=C(\C)CCCc1ccc(OC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ PLAAT3 P53816 1/20 0.50
▸ PLAAT5 Q96KN8 1/20 0.50
▸ PLAAT2 Q9NWW9 1/20 0.50
▸ PLAAT4 Q9UL19 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL19774465 0.88 MTNR1A (0.62) CYP1A2CYP3A4CYP2D6LTA4H
SCHEMBL5182644 0.82 PLAAT3 (0.58) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL30869991 0.80 ATM (0.70) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL10343404 0.80 ATM (0.70) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL2224074 0.80 ATM (0.61) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL503571 0.79 PLAAT3 (0.61) ATMKDM4ECA2PLAAT3PLAAT5
Water SCHEMBL11279881 0.79 ATM (0.59) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL23913120 0.79 ATM (0.68) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL31556187 0.79 ATM (0.68) ATMKDM4EPOLBCYP19A1CA2
SCHEMBL31556190 0.79 ATM (0.68) ATMKDM4EPOLBCYP19A1CA2

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-2855586-B1 FLAME RETARDANT POLYCARBONATE COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME SABIC GLOBAL TECHNOLOGIES BV (NL) 2017-08-09 — — EP disclosed
Send feedback