SCHEMBL8198040

SCHEMBL8198040

O=C(NC(Cc1ccccc1)O[PH](=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.57
TACR1 P25103 3/20 0.51
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL8198038 0.90 CTRB1 (0.58) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL9619639 0.82 ATM (0.54) CTRB1CTSLCTSBCTSSCTSK
SCHEMBL14927646 0.81 CTRB1 (0.61) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL10716393 0.80 ALDH1A1 (0.50) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL13866599 0.80 CTRB1 (0.59) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL3864222 0.80 CTRB1 (0.59) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL3893048 0.80 CTRB1 (0.59) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL9074306 0.79 CTRB1 (0.58) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL28141917 0.79 CTRB1 (0.58) CTRB1TACR1CTSLCTSBCTSS
SCHEMBL8198203 0.79 CTRB1 (0.58) CTRB1TACR1CTSLCTSBCTSS

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
EP-0413762-B1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN INT INC (US) 2000-07-12 EP disclosed
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP disclosed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP disclosed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO disclosed