SCHEMBL7960610

SCHEMBL7960610

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.41
CPT2 P23786 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
ACLY P53396 1/20 0.37
TP53 P04637 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL8858444 0.98 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Ammonia Solution, Strong SCHEMBL8858449 0.98 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Tetramethylammonium Ion SCHEMBL8858493 0.93 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27680767 0.81 TSHR (0.33) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL1572172 0.79 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28632313 0.78 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL1572639 0.77 CYP1A2 (0.37) CHRM1ADRA1ACYP1A2TDP1TP53
SCHEMBL20702101 0.77 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL15040910 0.77 CYP1A2 (0.37) CHRM1ADRA1ACYP1A2TDP1TP53
SCHEMBL4585507 0.77 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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-20240203807-A1 FLUID-INFUSED ENCAPSULATION OF WATER-SENSITIVE MATERIALS WITH REPLENISHABLE, MULTISCALE WATER REPELLENCY NATIONAL SCIENCE FOUNDATION 2024-06-20 US disclosed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed