SCHEMBL10691412

SCHEMBL10691412

C=CCN(CC=C)c1ccc(C(=O)c2ccc(OC)cc2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
LTC4S Q16873 4/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
LSS P48449 3/20 0.42
HTT P42858 2/20 0.41
PGR P06401 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10692514 0.85 KMT2A (0.52) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL7848711 0.83 LMNA (0.64) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL11525076 0.80 MEN1 (0.42) TSHRCYP2C19MEN1KMT2AALDH1A1
SCHEMBL10531019 0.80 LTC4S (0.62) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL9313937 0.80 KMT2A (0.52) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL9312633 0.78 LMNA (0.64) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL10690638 0.78 ACHE (0.53) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL9313237 0.78 LMNA (0.48) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL4124832 0.77 NPC1 (0.68) TSHRLMNACYP1A2CYP2C19MEN1
SCHEMBL11399468 0.77 AKR1C3 (0.54) LMNAMEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748148-A Recording system utilizing phthalide derivatives as colorless chromogenic material NEW OJI PAPER CO., LTD. (JP) 1988-05-31 US disclosed
US-4641160-A Recording system utilizing phthalide derivatives as colorless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1987-02-03 US disclosed
EP-0062544-A1 New phthalide derivatives, process for preparing the same and recording system utilizing the same as colourless chromogenic material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-10-13 EP disclosed