SCHEMBL9680264

SCHEMBL9680264

C=Cc1ccc(CC(=O)Cc2ccc(C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
PSMD14 O00487 1/20 0.38
CA2 P00918 2/20 0.37
CAMK2A Q9UQM7 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
ABCC4 O15439 1/20 0.34

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
SCHEMBL1898335 0.88 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL1406138 0.88 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL10706111 0.85 TAS1R3 (0.40) ALDH1A1TDP1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL598224 0.84 CA2 (0.56) ALDH1A1TDP1TSHRLMNACA2
SCHEMBL6830563 0.83 TAS1R3 (0.42) ALDH1A1TDP1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL3625705 0.83 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL3625706 0.83 CA2 (0.54) ALDH1A1TDP1TSHRLMNACA2
SCHEMBL4456785 0.83 CA2 (0.57) ALDH1A1TDP1LMNACA2
SCHEMBL10591543 0.83 POLB (0.47) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL29109718 0.83 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114709406-A Sulfur-rich copolymer material, lithium-sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2022-07-05 CN disclosed
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed