SCHEMBL9508751

SCHEMBL9508751

CC(=O)C(=Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.43
FBP1 P09467 1/20 0.43
GLA P06280 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NR1I2 O75469 1/20 0.42
AKR1C1 Q04828 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
POLB P06746 2/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL9512308 1.00 AKR1C3 (0.52) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL9508762 1.00 AKR1C3 (0.52) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL2223293 0.84 AKR1C3 (0.50) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL2223295 0.84 AKR1C3 (0.50) AKR1C3RECQLALDH1A1TSHRHTT
SCHEMBL15668275 0.81 MCL1 (0.49) AKR1C3RECQLALDH1A1TSHRFBP1
SCHEMBL778517 0.76 CES2 (0.53) ALDH1A1HTTTDP1MAPTMEN1
SCHEMBL778665 0.76 KDM4E (0.48) AKR1C3ALDH1A1TSHRTDP1MAPT
SCHEMBL9512328 0.75 GLO1 (0.68) ALDH1A1FBP1MAPTMEN1KMT2A
SCHEMBL10599575 0.75 GLO1 (0.68) ALDH1A1FBP1MAPTMEN1KMT2A
SCHEMBL805622 0.73 AKR1C3 (0.75) AKR1C3RECQLALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276000-B1 PROCESS FOR PRODUCING ALPHA-(BENZYLIDENE)-ACETONYLPHOSPHONATES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-29 EP claimed
US-4879400-A CONDENSATION OF ACTIVE METHYLENE WITH BENZALDEHYDE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-07 US claimed
JP-1085986-A None JP disclosed
EP-0276000-B1 PROCESS FOR PRODUCING ALPHA-(BENZYLIDENE)-ACETONYLPHOSPHONATES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-29 EP disclosed
EP-0276000-B1 PROCESS FOR PRODUCING ALPHA-(BENZYLIDENE)-ACETONYLPHOSPHONATES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-29 EP disclosed
US-4879400-A CONDENSATION OF ACTIVE METHYLENE WITH BENZALDEHYDE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-07 US disclosed
US-4879400-A CONDENSATION OF ACTIVE METHYLENE WITH BENZALDEHYDE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-07 US disclosed
US-4879400-A CONDENSATION OF ACTIVE METHYLENE WITH BENZALDEHYDE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-11-07 US disclosed
JP-S6485986-A METHOD FOR BENZYLIDENYLATING ACETONYLPHOSPHONATES AT ALPHA-POSITION NISSAN CHEMICAL IND LTD 1989-03-30 JP disclosed
EP-0276000-A2 Process for producing alpha-(benzylidene)-acetonylphosphonates NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-07-27 EP disclosed
EP-0276000-A2 Process for producing alpha-(benzylidene)-acetonylphosphonates NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-07-27 EP disclosed