SCHEMBL21029604

SCHEMBL21029604

CCC(C)(C)C(=O)C(=O)C(C)(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.32
RIPK1 Q13546 3/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL553596 0.88 TDP1 (0.38) FKBP1ARIPK1TSHRTDP1
SCHEMBL3917530 0.80 FKBP1A (0.33) FKBP1ARIPK1TSHRTDP1
SCHEMBL7949805 0.76 FAAH (0.34) FKBP1ARIPK1
SCHEMBL166880 0.74 TSHR (0.40) FKBP1ARIPK1TSHRCYP2D6CYP2C19
SCHEMBL8603741 0.74 TDP1 (0.35) FKBP1ARIPK1TSHRTDP1
SCHEMBL4381836 0.74 TSHR (0.40) TSHRCYP2D6CYP2C19HIF1ATDP1
SCHEMBL25445512 0.74 RIPK1 (0.31) RIPK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL24090037 0.72 FKBP1A (0.32) FKBP1ARIPK1TSHRTDP1
SCHEMBL15049329 0.72 FKBP1A (0.35) FKBP1ARIPK1TSHRCYP2C19TDP1
SCHEMBL28423216 0.72 FFAR3 (0.33) FKBP1ARIPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907014-B2 Polymer compositions THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-02 US disclosed
US-20190161578-A1 POLYMER COMPOSITIONS THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2019-05-30 US disclosed