SCHEMBL11289447

SCHEMBL11289447

C/C=C(\C)C(O)Oc1cccc(NCC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
HDAC4 P56524 2/20 0.37
MEF2D Q14814 2/20 0.37
GRK2 P25098 2/20 0.37
F10 P00742 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAU P00749 1/20 0.34

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
SCHEMBL11289448 1.00 MTNR1A (0.42) MTNR1AMTNR1BHDAC4MEF2DGRK2
SCHEMBL12895716 0.77 HDAC4 (0.48) MTNR1AMTNR1BHDAC4MEF2DGRK2
SCHEMBL27683582 0.74 MEN1 (0.59) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL38660132 0.71 MTNR1B (0.57) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL42399 0.71 MTNR1B (0.57) MTNR1AMTNR1BALDH1A1HPGDNPC1
Mandelic Acid SCHEMBL2054214 0.70 CASR (0.52) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL28471149 0.70 MTNR1B (0.55) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL146848 0.70 TP53 (0.53) HDAC4MEF2DALDH1A1HPGDNPC1
Isophthalic Acid SCHEMBL27820333 0.69 RXRA (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16706307 0.69 MTNR1B (0.41) MTNR1AMTNR1BF10ALDH1A1HPGD

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
EP-0046283-A2 4-Phenoxy-2-butene derivatives and their use as plant growth regulators J.T. Baker Chemical Co. (US) 1982-02-24 EP disclosed