SCHEMBL3989474

SCHEMBL3989474

CCCCN(C)C(=O)CSc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ ANPEP P15144 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CNR2 P34972 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL3998870 0.92 ALDH1A1 (0.54) ALDH1A1ANPEPTP53RXFP1MAPT
SCHEMBL15682853 0.82 TP53 (0.42) ALDH1A1TP53RXFP1MAPTLMNA
SCHEMBL11762307 0.81 HDAC3 (0.44) ALDH1A1ANPEPLMNASMN1; SMN2CYP3A4
SCHEMBL11764217 0.77 NPC1 (0.44) ALDH1A1ANPEPLMNASMN1; SMN2CYP3A4
SCHEMBL9130521 0.74 PDK2 (0.54) ALDH1A1SMN1; SMN2GAAHPGDNPC1
SCHEMBL13804898 0.73 MAPT (0.41) ALDH1A1TP53RXFP1MAPTLMNA
SCHEMBL1269574 0.73 ANPEP (0.65) ALDH1A1ANPEPRXFP1MAPTLMNA
SCHEMBL1269611 0.73 MEN1 (0.59) ALDH1A1ANPEPTP53RXFP1MAPT
SCHEMBL11764839 0.71 HDAC3 (0.41) ALDH1A1ANPEPCNR2
SCHEMBL11038319 0.71 ACHE (0.54) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009069966-A2 USE OF COMPOUNDS FOR CONTROLLING THE FUNCTION OF SPHINGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2009-06-04 — — WO claimed
WO-2009069966-A2 USE OF COMPOUNDS FOR CONTROLLING THE FUNCTION OF SPHINGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2009-06-04 — — WO disclosed
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