SCHEMBL23615998

SCHEMBL23615998

C=C(c1ccc(N2CCCC2)cc1)C(C)c1ccc(CC)c(CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.48
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL23615939 0.91 HIF1A (0.42) HIF1AMAPTALDH1A1NPSR1SMYD3
SCHEMBL23615933 0.82 CYP2D6 (0.44) HIF1AMAPTALDH1A1KDM4EALOX15
SCHEMBL19675453 0.76 MAPT (0.50) HIF1AMAPTALDH1A1NPSR1KDM4E
SCHEMBL23615963 0.68 BCHE (0.31) HIF1A
SCHEMBL15893978 0.67 HIF1A (0.58) HIF1AMAPTALDH1A1NPSR1KDM4E
SCHEMBL28745217 0.67 MAPT (0.54) HIF1AMAPTALDH1A1NPSR1KDM4E
SCHEMBL27530982 0.66 AKR1C3 (0.45) ALOX15TSHRLMNA
SCHEMBL10473871 0.66 KMT2A (0.47) MAPTALDH1A1NPSR1KDM4EALOX15
SCHEMBL1599647 0.66 MAPT (0.45) MAPTALDH1A1NPSR1KDM4EALOX15
SCHEMBL24590678 0.66 ALDH1A1 (0.51) MAPTALDH1A1NPSR1KDM4EALOX15

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-3845516-A1 NOVEL HIF-1alfa INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ANGIOGENESIS-ASSOCIATED EYE DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT Seoul National University R & DB Foundation (KR) 2021-07-07 — — EP disclosed
Send feedback