SCHEMBL7598975

SCHEMBL7598975

C=C(C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(=C)C)c(O)c2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
POLB P06746 5/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
TDP1 Q9NUW8 2/20 0.40
RORC P51449 1/20 0.39
GAA P10253 2/20 0.39
PKM P14618 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7597622 0.85 POLB (0.41) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL7601061 0.84 NPC1 (0.44) NPC1POLBRAB9AALDH1A1CA1
SCHEMBL7600760 0.83 CA1 (0.56) NPC1POLBCA1CA2CA9
SCHEMBL7601359 0.81 POLB (0.50) POLBMAPTALDH1A1GAAPKM
SCHEMBL22200960 0.80 POLB (0.49) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL12468916 0.78 MAPT (0.49) NPC1POLBMAPTRAB9ACA9
SCHEMBL9621666 0.76 KDM5A (0.53) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL7607384 0.75 PKM (0.59) POLBMAPTALDH1A1CA1CA2
SCHEMBL9561315 0.74 CXCR2 (0.56) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL7597996 0.74 HTT (0.44) NPC1POLBMAPTALDH1A1CA1

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