SCHEMBL8698403

SCHEMBL8698403

O=C(O)C=CCc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.51
PTGER4 P35408 3/20 0.49
PTGER3 P43115 3/20 0.49
PTGER2 P43116 3/20 0.49
SLC22A12 Q96S37 2/20 0.44
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
PTGER1 P34995 1/20 0.41
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL8698401 1.00 GPR52 (0.51) GPR52PTGER4PTGER3PTGER2SLC22A12
SCHEMBL10451654 0.86 PTGER4 (0.56) PTGER4PTGER3PTGER2SLC22A12ALDH1A1
SCHEMBL1006202 0.79 AKR1B1 (0.53) GPR52PTGER4PTGER3PTGER2SLC22A12
SCHEMBL28743677 0.79 AKR1B1 (0.53) GPR52PTGER4PTGER3PTGER2SLC22A12
SCHEMBL6361489 0.78 FOLH1 (0.50) PTGER4PTGER3PTGER2ALDH1A1LMNA
SCHEMBL27717001 0.78 PTGER3 (0.49) PTGER4PTGER3PTGER2TAAR1PTGER1
SCHEMBL10689125 0.78 PTGER3 (0.49) PTGER4PTGER3PTGER2SLC22A12ALDH1A1
SCHEMBL27623546 0.78 PTGER4 (0.49) PTGER4PTGER3PTGER2SLC22A12ALDH1A1
SCHEMBL27580527 0.78 PTGER4 (0.49) GPR52PTGER4PTGER3PTGER2TAAR1
SCHEMBL24242098 0.77 GPR52 (0.44) GPR52PTGER4PTGER3PTGER2TAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101090886-B Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV 2011-05-18 CN disclosed
CN-101090886-A Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV (NL) 2007-12-19 CN disclosed
US-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed