SCHEMBL11899997

SCHEMBL11899997

C=C(C)C(=O)OC(=O)c1ccncc1.[MgH2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL11898510 0.98 HSD17B10 (0.48) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL28478234 0.85 ELANE (0.46) LMNACYP1A2SMN1; SMN2MAPTPOLB
SCHEMBL14393318 0.83 HSD17B10 (0.52) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL28160711 0.83 HSD17B10 (0.52) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3788226 0.81 ELANE (0.53) HSD17B10LMNASMN1; SMN2GAAMAPT
SCHEMBL28514832 0.79 ELANE (0.54) HSD17B10LMNASMN1; SMN2GAAMAPT
SCHEMBL777588 0.79 ELANE (0.54) HSD17B10LMNASMN1; SMN2GAAMAPT
SCHEMBL14271613 0.79 L3MBTL1 (0.47) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL6877560 0.79 HSD17B10 (0.55) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL647632 0.78 HSD17B10 (0.64) HSD17B10LMNACYP1A2CYP2C9CYP2C19

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-20120202153-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-09 — — US disclosed
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