SCHEMBL7603048

SCHEMBL7603048

C=Cc1ccc(C(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)c4ccc(C=C)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.45
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
PYGM P11217 3/20 0.43
CACNA1H O95180 2/20 0.43
CACNA1B Q00975 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.41
AHR P35869 1/20 0.41
PYGL P06737 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7598422 0.89 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL7599610 0.89 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL7599792 0.88 SMN1; SMN2 (0.45) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL7602716 0.83 ALDH1A1 (0.53) SMN1; SMN2NPSR1MAPTALDH1A1LMNA
SCHEMBL7602849 0.83 CNR1 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL7603821 0.82 MAPT (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL7601089 0.81 TDP1 (0.51) SMN1; SMN2MAPTCNR2CNR1ALDH1A1
SCHEMBL7601066 0.75 ALDH1A1 (0.58) ALDH1A1LMNANPC1RAB9APOLB
SCHEMBL7602651 0.75 GAA (0.52) SMN1; SMN2ALDH1A1POLB
SCHEMBL7598284 0.74 GAA (0.50) SMN1; SMN2NPSR1MAPTALDH1A1LMNA

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-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed