SCHEMBL9720877

SCHEMBL9720877

Cc1ccccc1OOCC(O)CN

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
KMT2A Q03164 5/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NR2E1 Q9Y466 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SCN4A P35499 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL768488 0.84 ALOX15 (0.93) ALOX15TSHRKDM4ECYP1A2KMT2A
SCHEMBL768489 0.84 ALOX15 (0.93) ALOX15TSHRKDM4ECYP1A2KMT2A
SCHEMBL7400700 0.84 ALOX15 (0.93) ALOX15TSHRKDM4ECYP1A2KMT2A
Hydrochloric Acid SCHEMBL11100810 0.83 ALOX15 (0.97) ALOX15TSHRKDM4ECYP1A2KMT2A
SCHEMBL8844761 0.81 ALOX15 (0.49) ALOX15KDM4ECYP1A2KMT2ALMNA
SCHEMBL13889769 0.75 ALOX15 (0.71) ALOX15TSHRKDM4ECYP1A2KMT2A
SCHEMBL772845 0.75 ALOX15 (0.71) ALOX15TSHRKDM4ECYP1A2KMT2A
SCHEMBL18423672 0.72 KDM4E (0.82) ALOX15KDM4ECYP1A2KMT2ALMNA
SCHEMBL773062 0.71 TSHR (0.93) ALOX15TSHRCYP1A2KMT2ALMNA
SCHEMBL28249505 0.71 TSHR (0.42) ALOX15TSHRKDM4ECYP1A2KMT2A

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-5087688-A Containing liquid B-hydroxyamine; odorless, stable CIBA-GEIGY CORPORATION (US) 1992-02-11 US disclosed