SCHEMBL10697768

SCHEMBL10697768

CCOc1cc(OCC)cc(OCc2cccc(C(=O)O)c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ HMGB1 P09429 1/20 0.48
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL10421199 0.89 HMGB1 (0.48) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL10420804 0.86 HMGB1 (0.46) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL10422123 0.84 HMGB1 (0.47) MRGPRX4HMGB1KDM4EALDH1A1HPGD
SCHEMBL10422132 0.84 HMGB1 (0.43) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL10421183 0.83 MRGPRX4 (0.55) MRGPRX4TP53HMGB1NPC1RAB9A
SCHEMBL10421120 0.82 SMN1; SMN2 (0.42) MRGPRX4SMN1; SMN2HMGB1MEN1KMT2A
SCHEMBL10422137 0.82 PTPN1 (0.52) MRGPRX4HMGB1AKR1C2AKR1C1
SCHEMBL10420809 0.80 PPARA (0.50) —
SCHEMBL10420779 0.79 MCL1 (0.47) MRGPRX4TP53HMGB1NPC1RAB9A
SCHEMBL10421128 0.79 PTGER4 (0.56) MRGPRX4HMGB1NPC1RAB9ARXRA

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
EP-0253666-A2 Heat-sensitive recording material containing dye-forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-01-20 — — EP disclosed
Send feedback