SCHEMBL10956366

SCHEMBL10956366

COc1ccc(C(=O)Cc2ccc(F)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 2/20 0.54
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
PDE4D Q08499 1/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.53
CA12 O43570 1/20 0.51

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
SCHEMBL7821807 0.87 LMNA (0.79) NPC1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL30040198 0.87 LMNA (0.79) NPC1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3943149 0.86 LMNA (0.83) NPC1LMNAHTTSMN1; SMN2RAB9A
SCHEMBL3730274 0.85 ACHE (0.70) NPC1LMNAHTTALDH1A1KDM4E
SCHEMBL1515747 0.84 NPC1 (0.63) NPC1LMNAHTTSMN1; SMN2RAB9A
SCHEMBL15988792 0.84 CTNNB1 (0.74) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL6280969 0.82 PDE4D (0.60) NPC1LMNAHTTRAB9AALDH1A1
SCHEMBL10955656 0.81 SMN1; SMN2 (0.64) NPC1LMNAHTTSMN1; SMN2RAB9A
SCHEMBL3940426 0.80 HTT (0.61) NPC1LMNAHTTRAB9AALDH1A1
SCHEMBL30969381 0.80 LMNA (0.64) NPC1LMNAHTTSMN1; SMN2ALDH1A1

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-4500542-A ADMINISTERING RIBOFLAVIN OR ANALOG ALONG WITH ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1985-02-19 US disclosed