SCHEMBL28959751

SCHEMBL28959751

C=CCCC=CC(C)CCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 1/20 0.40
PTGS1 P23219 1/20 0.38
PPARG P37231 1/20 0.38
OPRK1 P41145 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
OPRM1 P35372 1/20 0.34
MAPT P10636 3/20 0.34
CETP P11597 3/20 0.34
SPHK1 Q9NYA1 3/20 0.34
GMNN O75496 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL28439953 1.00 TSHR (0.48) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL5138550 0.91 TSHR (0.57) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29103340 0.86 TSHR (0.42) TSHRALDH1A1
SCHEMBL6915220 0.85 TSHR (0.54) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6573273 0.85 TSHR (0.54) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL3675960 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2ACYP3A4ADH1B
SCHEMBL9545645 0.84 MEN1 (0.48) ALDH1A1MEN1KMT2ACYP3A4PPARG
SCHEMBL21643925 0.84 MEN1 (0.48) ALDH1A1MEN1KMT2ACYP3A4PPARG
SCHEMBL21643923 0.84 MEN1 (0.48) ALDH1A1MEN1KMT2ACYP3A4PPARG
SCHEMBL19140607 0.84 MEN1 (0.48) ALDH1A1MEN1KMT2ACYP3A4PPARG

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-115413284-A Ethylene-copolymer rubber 阿朗新科荷兰有限公司 2022-11-29 CN disclosed