SCHEMBL19828213

SCHEMBL19828213

C=C(C)[C@H]1Cc2c(ccc(C3=NOCC3c3cc(OC)c(OC)cc3OCS)c2O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ MT-ND4 P03905 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL19828315 0.87 CYP3A4 (0.33) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL19828221 0.80 CYP3A4 (0.45) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL47262 0.73 CYP3A4 (0.63) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL13056618 0.73 CYP3A4 (0.63) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL10280019 0.73 CYP3A4 (0.63) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL20902712 0.72 MAPT (0.48) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL17213340 0.71 MAPT (0.47) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL13267998 0.71 MAPT (0.49) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL23867624 0.70 CYP3A4 (0.61) CYP3A4MAPTALDH1A1CYP2C19MT-ND4
SCHEMBL2631257 0.70 MAPT (0.41) CYP3A4MAPTALDH1A1CYP2C19MT-ND4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564674-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2019-11-06 — — EP disclosed
EP-3561513-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION Ventana Medical Systems, Inc. (US) 2019-10-30 — — EP disclosed
EP-3276349-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2018-01-31 — — EP disclosed
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