SCHEMBL28690640

SCHEMBL28690640

CCC(c1cccc(-c2ccc(OCCO)cc2)c1)c1cccc(-c2ccc(OCCO)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
LSS P48449 1/20 0.45
CYP17A1 P05093 1/20 0.45
NR1I2 O75469 1/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
ADRB2 P07550 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
CTSA P10619 2/20 0.43
FFAR4 Q5NUL3 3/20 0.43
FFAR1 O14842 2/20 0.43
GAA P10253 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL2776515 0.84 ALDH1A1 (0.53) ALDH1A1RECQLNR1I2CHRNB2CHRNA4
SCHEMBL5390591 0.83 ALDH1A1 (0.60) ALDH1A1RECQLLSSCYP17A1NR1I2
SCHEMBL2935863 0.81 ALDH1A1 (0.55) ALDH1A1RECQLCYP17A1NR1I2FFAR1
SCHEMBL16581451 0.81 ALDH1A1 (0.59) ALDH1A1RECQLLSSNR1I2FFAR4
SCHEMBL28368864 0.77 KDM4E (0.50) ALDH1A1RECQL
SCHEMBL5385035 0.77 ALDH1A1 (0.78) ALDH1A1RECQLLSSNR1I2CHRNB2
SCHEMBL9151944 0.77 ALDH1A1 (0.78) ALDH1A1RECQLLSSNR1I2CHRNB2
SCHEMBL9579515 0.77 ALDH1A1 (0.78) ALDH1A1RECQLLSSNR1I2CHRNB2
SCHEMBL8264152 0.76 FFAR4 (0.50) ALDH1A1RECQLLSSNR1I2FFAR4
SCHEMBL24721044 0.76 KDM4E (0.49) ALDH1A1ADRB1ADRB3RXRARXRB

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
CN-114072461-A Thermoplastic resin composition, molded article, and product 三菱电机株式会社 2022-02-18 CN disclosed