SCHEMBL8511546

SCHEMBL8511546

COC(=O)C(C)Cn1nccc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.41
CBLB Q13191 1/20 0.39
LMNA P02545 2/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX3 P56373 7/20 0.36
HTT P42858 1/20 0.36
ESRRB O95718 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL8270928 0.75 LMNA (0.69) ALDH1A1LMNAAPAF1POLBCYP1A2
SCHEMBL20703012 0.75 MAPK1 (0.47) MAPK1ALDH1A1CBLBLMNACYP1A2
SCHEMBL31030362 0.74 MAPK1 (0.49) MAPK1ALDH1A1CBLBLMNAAPAF1
SCHEMBL18806993 0.74 MAPK1 (0.49) MAPK1ALDH1A1CBLBLMNAAPAF1
SCHEMBL6154816 0.74 MAPK1 (0.47) MAPK1ALDH1A1CBLBLMNACYP1A2
SCHEMBL24015861 0.73 MAPK1 (0.45) MAPK1ALDH1A1CBLBLMNACYP1A2
SCHEMBL31030379 0.71 MAPK1 (0.42) MAPK1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL8141395 0.71 MAPK1 (0.44) MAPK1ALDH1A1CBLBLMNACYP1A2
SCHEMBL12512974 0.71 MAPK1 (0.44) MAPK1ALDH1A1CBLBLMNACYP1A2
SCHEMBL12434717 0.71 MAPK1 (0.44) MAPK1ALDH1A1CBLBLMNACYP1A2

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-5972064-A USEFUL FOR FERTILIZER COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed