SCHEMBL18962201

SCHEMBL18962201

NCCCCCCC1CCCCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 1.00
CYP1A2 P05177 1/20 0.52
RAD52 P43351 1/20 0.50
POLB P06746 1/20 0.45
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
DNM1 Q05193 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 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
SCHEMBL8084026 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL9293966 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL4871113 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL133995 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL9718061 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL5072429 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL24556958 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL13951245 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL20925672 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA
SCHEMBL10435740 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2RAD52POLBGLA

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
US-20170166804-A1 METHOD, SYSTEM, AND COMPOSITION FOR PRODUCING OIL SHELL USA, INC. 2017-06-15 US disclosed