SCHEMBL29319010

SCHEMBL29319010

CCC(C)c1ccc(C(=O)OC2(CC)CCCCC2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CTSK P43235 3/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
CETP P11597 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HCN1 O60741 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
PPARA Q07869 1/20 0.30
CXCR2 P25025 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
SCHEMBL12014453 0.89 ACE2 (0.37) ACE2CTSKCTSLCTSBCETP
SCHEMBL12015393 0.80 CNR2 (0.39) TSHRCTSKCTSLCTSB
SCHEMBL14749067 0.79 SCN1A (0.37) TSHRHSP90AA1HSP90AB1ADRB2ADRB1
SCHEMBL26791189 0.79 CA12 (0.36) TSHRHSP90AA1HSP90AB1
SCHEMBL6400218 0.78 TSHR (0.46) TSHRCTSKCTSLCTSBCETP
SCHEMBL29319792 0.78 ADORA3 (0.32) CTSKCTSLCTSBCETP
SCHEMBL12014448 0.77 CTSL (0.34) CTSKCTSLCTSB
SCHEMBL13242083 0.74 MEN1 (0.37) TSHR
SCHEMBL29318958 0.74 TSHR (0.39) TSHRACE2HSP90AA1HSP90AB1ADRB2
SCHEMBL6399681 0.73 TDP1 (0.44) TSHRCTSKCTSLCTSB

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-20240241444-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2024-07-18 US disclosed