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Sugi Predict / Compounds / SCHEMBL24739617

SCHEMBL24739617

SCHEMBL24739617

O=C(NCC1CO1)c1cccc(-c2cccc(Oc3cc4c5c(cc(Oc6cccc(-c7cccc(C(=O)NCC8CO8)c7)c6)c6c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc8c9c(cc(Oc%10cccc(-c%11cccc(C(=O)NCC%12CO%12)c%11)c%10)c(c3c56)c97)C(=O)N(C(Cc3ccncc3)C(=O)NC3CCCCC3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)NC3CCCCC3)C4=O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.38
▸ ROCK1 Q13464 5/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ FAAH2 Q6GMR7 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL24739628 0.90 RAB9A (0.36) ROCK2ROCK1RAB9AMMP13ALDH1A1
SCHEMBL24739960 0.90 MAPT (0.36) RAB9AALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL24739881 0.89 RAB9A (0.36) ROCK2ROCK1RAB9AMMP13ALDH1A1
SCHEMBL24739659 0.88 AURKA (0.35) ROCK2RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24739612 0.88 AURKA (0.38) ROCK2RAB9ACYP3A4MMP13ALDH1A1
SCHEMBL24739650 0.88 RAB9A (0.35) ROCK2ROCK1RAB9ACYP3A4CYP2C19
SCHEMBL24740008 0.88 AURKA (0.35) ROCK2ROCK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24739618 0.87 AURKA (0.33) ROCK2RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24739681 0.87 F11 (0.38) RAB9AFAAHALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24739732 0.86 GPR132 (0.39) ROCK2RAB9AALDH1A1

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-20220390841-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD. (KR) 2022-12-08 — — US disclosed