SCHEMBL9875744

SCHEMBL9875744

CC(C)c1cccc2c3c(cc-2c1)CCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
MDM4 O15151 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 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
SCHEMBL9876322 0.97 LMNA (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9876374 0.95 ALDH1A1 (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9873863 0.95 ALDH1A1 (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9876279 0.95 ALDH1A1 (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9875680 0.80 LMNA (0.40) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL9876297 0.78 MEN1 (0.45) ALDH1A1SMN1; SMN2TP53MAPTALOX12
SCHEMBL9876382 0.77 LMNA (0.40) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL9826304 0.76 RXRA (0.36) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9876360 0.75 HPGD (0.40) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL9876562 0.75 HPGD (0.40) KDM4ELMNAALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61218551-A None JP disclosed
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
JP-S61218551-A SQUARYLIUM COMPOUND MITSUBISHI CHEM IND LTD 1986-09-29 JP disclosed
EP-0187015-A2 Squarilium compound and liquid crystal composition containing the same MITSUBISHI KASEI CORPORATION (JP) 1986-07-09 EP disclosed