SCHEMBL31556124

SCHEMBL31556124

O=Cc1ccc2cc(OCc3ccccc3F)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.56
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PARP15 Q460N3 3/20 0.52
PARP10 Q53GL7 3/20 0.52
PTPN2 P17706 7/20 0.49
CDC25B P30305 7/20 0.49
PTPN6 P29350 3/20 0.49
MAOB P27338 6/20 0.49
PARP14 Q460N5 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL4244280 1.00 PTPN1 (0.56) PTPN1RAB9ANPC1ALDH1A1PARP15
SCHEMBL2168244 0.86 TSHR (0.60) RAB9ANPC1ALDH1A1PARP15PARP10
SCHEMBL4200604 0.85 NPC1 (0.68) RAB9ANPC1ALDH1A1PARP15PARP10
SCHEMBL8876719 0.82 MAOB (0.52) RAB9ANPC1ALDH1A1MAOB
SCHEMBL2668344 0.82 NPC1 (0.51) RAB9ANPC1ALDH1A1PARP15PARP10
SCHEMBL19595052 0.81 MAOB (0.56) RAB9ANPC1ALDH1A1PARP15PARP10
SCHEMBL8877502 0.79 PARP10 (0.58) PTPN1RAB9ANPC1PARP15PARP10
SCHEMBL7239415 0.79 MAOB (0.58) PTPN1RAB9ANPC1PARP15PARP10
SCHEMBL3904670 0.79 MAOA (0.71) RAB9ANPC1ALDH1A1MAOBPKM
SCHEMBL2937797 0.79 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1PARP15PARP10

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
CN-119841715-A Method for directly preparing aromatic ether compound from aromatic aldehyde, ketone and phenol 湖南第一师范学院 2025-04-18 CN disclosed