SCHEMBL3729618

SCHEMBL3729618

CC(CBr)(CCCCCCCCCCCBr)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACLY P53396 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ARG1 P05089 1/20 0.32
ARG2 P78540 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
SCHEMBL15136795 0.84 FFAR1 (0.36) FFAR1CPT2TDP1ACLYCYP2D6
SCHEMBL22286577 0.81 TSHR (0.39) FFAR1TDP1CYP2D6TSHRCYP2C19
SCHEMBL27792354 0.78 FFAR1 (0.41) FFAR1CPT2TDP1ACLYCYP2D6
SCHEMBL9131338 0.78 ACLY (0.61) FFAR1CPT2TDP1ACLYTSHR
SCHEMBL8987137 0.78 ACLY (0.61) FFAR1CPT2TDP1ACLYTSHR
SCHEMBL10871604 0.78 ACLY (0.61) FFAR1CPT2TDP1ACLYTSHR
SCHEMBL10873588 0.78 ACLY (0.61) FFAR1CPT2TDP1ACLYTSHR
SCHEMBL3729621 0.78 FFAR1 (0.41) FFAR1CPT2TDP1ACLYCYP2D6
SCHEMBL791722 0.77
SCHEMBL23456724 0.76 TSHR (0.42) CYP2D6TSHRCYP2C19HIF1A

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-20100279105-A1 Coated Magnetic Particles, Composite Magnetic Materials and Magnetic Tapes Using Them ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2010-11-04 US disclosed