SCHEMBL7994751

SCHEMBL7994751

[CH2]CCCCCCCCCCC#CCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
PTPN7 P35236 3/20 0.35
HMGCR P04035 1/20 0.35
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10591348 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL313049 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL3862762 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL6324757 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL1116755 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL3868201 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL3857775 1.00 RAB9A (0.39) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL10591685 0.97 RAB9A (0.35) RAB9APTPN7HMGCRRECQLTDP1
SCHEMBL291632 0.97
SCHEMBL9211208 0.93 RECQL (0.41) RAB9APTPN7HMGCRRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284784-B1 2-HYDROXYMETHYL DERIVATIVES GEORGETOWN UNIVERSITY 2001-09-04 US disclosed
EP-1015427-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 2000-07-05 EP disclosed
US-5962504-A ACTIVATOR OF PROTEIN KINASE; ANTICANCER AGENT GEORGETOWN UNIVERSITY (US) 1999-10-05 US disclosed
WO-1999012901-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 1999-03-18 WO disclosed
US-5047169-A ELEVATES REFRACTIVE INDEX ANISOTROPY OF LIFQUID CRYSTAL COMPOUNDS; HIGH SPEED RESPONSE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-09-10 US disclosed