SCHEMBL17319366

SCHEMBL17319366

Cc1ccc(C(C)Oc2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
IGLV6-57 P01721 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17319367 0.82 SLC6A4 (0.46) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL17319354 0.80 LMNA (0.43) LMNASMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL14966813 0.78 FFAR1 (0.46) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL8282434 0.77 AKR1C2 (0.43) AKR1C3AKR1C2LMNAMEN1HTT
SCHEMBL17319365 0.76 SLC6A4 (0.49) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL14966937 0.75 TSHR (0.47) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL4363303 0.73 FFAR1 (0.56) ADRA2AADRA2BADRA2CMAOAMAOB
SCHEMBL18703603 0.73 ALDH1A1 (0.45) MEN1KMT2AALDH1A1IGLV6-57ALOX5
SCHEMBL19193471 0.73 ALDH1A1 (0.45) MEN1KMT2AALDH1A1IGLV6-57ALOX5
SCHEMBL14966858 0.73 ALDH1A1 (0.45) MEN1KMT2AALDH1A1IGLV6-57ALOX5

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-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed