SCHEMBL3880461

SCHEMBL3880461

CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C(C[S+]1CCCC1)c1cccc2ccccc12

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA5A P35218 4/20 0.41
CA5B Q9Y2D0 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CXCR3 P49682 1/20 0.40

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
SCHEMBL7132265 0.84 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL6551413 0.82 KMT2A (0.50) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6550640 0.81 KMT2A (0.47) CYP1A2CYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL6550776 0.81 KMT2A (0.49) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6549184 0.80 KMT2A (0.46) CYP1A2CYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL6550605 0.80 ALDH1A1 (0.51) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6548726 0.80 KMT2A (0.48) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6551184 0.79 KMT2A (0.47) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6549727 0.79 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6551055 0.79 KDM4E (0.47) CYP1A2CYP2C19ALDH1A1SMN1; SMN2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed